Geometry & MOs

Info

ID:	227606
PubChem CID:	87562076
Reduced:	ClPO3C14H20 (1)
Stoich.:	ABC3D14E20 (1)
Weight, g/mol:	638.156416
ΔH_f, kcal/mol:	-174.59
Dipole, Da:	4.12
IP(EA), eV:	-9.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-cyano-5-[[2-ethyl-6-methyl-4-(1,1,1,3,3,4,4,4-octafluoro-2-hydroxybutan-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C\CC1=CC(=CC=C1)Cl)/C)OCC

DOS

IR

Vibrations